[gmx-users] exclusions

Gavin Melaugh gmelaugh01 at qub.ac.uk
Wed May 11 17:31:12 CEST 2011


Hi all

I am cheking the non binary version topol.tpr form grompp and I was
wondering what the following format for the exclusion section signifies?

excls:
         nr=228
         nra=1920
         excls[0][0..12]={0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 15, 16}
         excls[1][13..25]={0, 1, 2, 3, 4, 5, 6, 7, 9, 10, 11, 12, 15}


Also I take it, that this is a result of nrexcl =3

Cheers

Gavin



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